MMsINC Database Search


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MMsINC code: MMs02010701

Type: Neutral
Formula: C₁₉H₁₉ClN₂O

SMILES:

Clc1ccc(cc1)CC(=O)NCc1cc2cc(n(c2cc1)C)C

InChI:

InChI=1/C19H19ClN2O/c1-13-9-16-10-15(5-8-18(16)22(13)2)12-21-19(23)11-14-3-6-17(20)7-4-14/h3-10H,11-12H2,1-2H3,(H,21,23)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=54.139 kcal/mol

Physical Properties
Molecular Weight: 326.827 g/mol	logS: -4.59197	SlogP: 4.62459	Reactive groups: 0

Topological Properties
Globularity: 0.0282071	Sterimol/B1: 2.58833	Sterimol/B2: 2.77389	Sterimol/B3: 3.8331
Sterimol/B4: 5.81279	Sterimol/L: 19.9562

Surface and Volume Properties
Accessible surface: 616.015	Positive charged surface: 353.265	Negative charged surface: 257.186	Volume: 317.5
Hydrophobic surface: 561.257	Hydrophilic surface: 54.758

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.